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Chemical ID: 6626750

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Cl

Chemical ID:

6626750

Name [?]:

[4-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-butoxybenzoate

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Cl

InChi [?]:

InChI=1/C26H25ClN2O5/c1-2-3-16-32-21-14-10-20(11-15-21)26(31)34-22-12-8-19(9-13-22)17-28-29-25(30)18-33-24-7-5-4-6-23(24)27/h4-15,17H,2-3,16,18H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,31,30,32,29,17,19,8,10,16,20,7,11,4,21,26,18,9,6,15,33,28,24,12,34,22,23,25,13,5,27,14/E:(8,9)(10,11)(12,13)(14,15)/rA:34nCCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6335
Area:	777.259
Solvation:	-7.79794
Coulombic:	-54.4846

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	480.94
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	7.06
LogP (Chemaxon):	5.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value